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排序方式: 共有86条查询结果,搜索用时 15 毫秒
1.
Santos JG Dutra JD Junior SA Freire RO da Costa NB 《The journal of physical chemistry. A》2012,116(17):4318-4322
A series of europium cryptates are studied, using semiempirical methods to predict electronic and spectroscopic properties. The results are compared with theoretical (DFT) and experimental results published by Guillaumont and co-workers (ChemPhysChem2007, 8, 480). Triplet energies calculated by semiempirical methods have errors similar to those obtained by TD-DFT methodology but hundreds of times faster. Moreover, the semiempirical results not only reproduce well the experimental values but also help explain the low values of quantum efficiency observed for these complexes. 相似文献
2.
An on-line preconcentration system for zinc determination in 24-h urine, blood plasma and erythrocyte matrices by flame atomic absorption spectrometry (FAAS) was used. This procedure was based on adsorption of Zn(II) ions onto a minicolumn filled with silica gel, chemically modified with niobium(V) oxide (Nb2O5-SiO2). The determination of the optimum conditions for Zn(II) preconcentration was done using two-level full factorial and Doehlert designs. In the optimization procedure, four variables (sample pH, eluent concentration, sample flow rate and eluent flow rate) were investigated. The results obtained from the full factorial design demonstrated that the sample pH and sample flow rate variables, and their interactions, were statistically significant. A Doehlert matrix was used in order to determine the optimum conditions for the sample pH and sample flow rate. The optimized conditions for sample pH and flow rate sampling were 6.6 and 7.1 ml min−1, respectively, to obtain the maximum Zn(II) preconcentration and determination in the biological samples studied. Parameters of analytical curve, precision, effect of other ions in the proposed system and accuracy were achieved to assess the proposed method. The accuracy was confirmed by analysis of certified reference materials (urine Seronorm™ Trace Elements) and recovery tests in blood plasma and erythrocyte samples. Detection limit (3σ/S) of 0.77 μg l−1, precision (calculated as relative standard deviation) of 1.5% for Zn(II) concentration of 10 μg l−1 (n = 7) and a sampling frequency of 27 samples/h were obtained from the proposed system. 相似文献
3.
In this work we group four research topics apparently disconnected, namely solitons, Lorentz symmetry breaking, supersymmetry, and entropy. Following a recent work (Gleiser and Stamatopoulos, 2012), we show that it is possible to construct in the context of travelling wave solutions a configurational entropy measure in functional space, from the field configurations. Thus, we investigate the existence and properties of travelling solitons in Lorentz and CPT breaking scenarios for a class of models with two interacting scalar fields. Here, we obtain a complete set of exact solutions for the model studied which display both double and single-kink configurations. In fact, such models are very important in applications that include Bloch branes, Skyrmions, Yang–Mills, Q-balls, oscillons and various superstring-motivated theories. We find that the so-called Configurational Entropy (CE) for travelling solitons shows that the best value of parameter responsible to break the Lorentz symmetry is one where the energy density is distributed equally around the origin. In this way, the information-theoretical measure of travelling solitons in Lorentz symmetry violation scenarios opens a new window to probe situations where the parameters responsible for breaking the symmetries are arbitrary. In this case, the CE selects the best value of the parameter in the model. 相似文献
4.
Maria Luiza Zeraik Ivani Pauli Luiz A. Dutra Raquel S. Cruz Marilia Valli Luana C. Paracatu Carolina M. Q. G. de Faria Valdecir F. Ximenes Luis O. Regasini Adriano D. Andricopulo Vanderlan S. Bolzani 《Molecules (Basel, Switzerland)》2021,26(8)
Cyclooxygenase (COX) and lipoxygenase (LOX) are key targets for the development of new anti-inflammatory agents. LOX, which is involved in the biosynthesis of mediators in inflammation and allergic reactions, was selected for a biochemical screening campaign to identify LOX inhibitors by employing the main natural product library of Brazilian biodiversity. Two prenyl chalcones were identified as potent inhibitors of LOX-1 in the screening. The most active compound, (E)-2-O-farnesyl chalcone, decreased the rate of oxygen consumption to an extent similar to that of the positive control, nordihydroguaiaretic acid. Additionally, studies on the mechanism of the action indicated that (E)-2-O-farnesyl chalcone is a competitive LOX-1 inhibitor. Molecular modeling studies indicated the importance of the prenyl moieties for the binding of the inhibitors to the LOX binding site, which is related to their pharmacological properties. 相似文献
5.
Laxman Singh Ravikant Sharma Narayan Singh Atendra Kumar Dev K Mahato Youngil Lee Mikhael Bechelany KD Mandal 《Progress in Crystal Growth and Characterization of Materials》2021,67(4):100542
This review paper covers the low temperature wet growth of nano-engineered particles of ZnO-based mixed metal oxides, their growth mechanism, and characterization using X-ray diffraction, SEM, TEM and IR, UV–visible, and XPS spectral techniques. Main focus of this article is centered on low temperature semi-wet methods of synthesis that are suitable for large scale production of zinc oxide-based systems mixed with iron oxide, copper oxide, nickel oxide and cobalt oxide. These mixed metal oxides have broad industrial applications as catalyst, semiconductors, adsorbents, superconductors, electro-ceramics, and antifungal agents in addition to extensive applications in medicines. This paper discusses the low-cost and environment friendly synthesis of these mixed metal oxides, measurement of properties and applicability of these materials systems. 相似文献
6.
Beatriz Werneck Lopes Santos Daniel Carneiro Moreira Tatiana Karla dos Santos Borges Eloisa Dutra Caldas 《Molecules (Basel, Switzerland)》2022,27(8)
Banisteriopsis caapi is used to prepare the psychoactive beverage ayahuasca, and both have therapeutic potential for the treatment of many central nervous system (CNS) conditions. This study aimed to isolate new bioactive compounds from B. caapi extract and evaluate their biological activity, and that of the known β-carboline components of the plant (harmine, harmaline, and tetrahydroharmine), in BV-2 microglial cells, the in vivo activation of which is implicated in the physiopathology of CNS disorders. B. caapi extract was fractionated using semipreparative liquid chromatography (HPLC-DAD) and the exact masses ([M + H]+ m/z) of the compounds in the 5 isolated fractions were determined by high-resolution LC-MS/MS: F1 (174.0918 and 233.1289), F2 (353.1722), F3 (304.3001), F4 (188.1081), and F5 (205.0785). Harmine (75.5–302 µM) significantly decreased cell viability after 2 h of treatment and increased the number of necrotic cells and production of reactive oxygen species at equal or lower concentrations after 24 h. F4 did not impact viability but was also cytotoxic after 24 h. Most treatments reduced proinflammatory cytokine production (IL-2, IL-6, IL-17, and/or TNF), especially harmaline and F5 at 2.5 µM and higher concentrations, tetrahydroharmine (9.3 µM and higher), and F5 (10.7 µM and higher). The results suggest that the compounds found in B. caapi extract have anti-inflammatory potential that could be explored for the development of treatments for neurodegenerative diseases. 相似文献
7.
The relativistic mean-field models tested in previous works against nuclear matter experimental values,critical parameters and macroscopic stellar properties are revisited and used in the evaluation of the symmetry energyγ parameter obtained in three different ways. We have checked that, independent of the choice made to calculate theγ values, a trend of linear correlation is observed between γ and the symmetry energy(S_0) and a more clear linear relationship is established between γ and the slope of the symmetry energy(L_0). These results directly contribute to the arising of other linear correlations between γ and the neutron star radii of R_(1.0) and R_(1.4), in agreement with recent findings. Finally, we have found that short-range correlations induce two specific parametrizations, namely,IU-FSU and DD-MEδ, simultaneously compatible with the neutron star mass constraint of 1.93≤M_(max)/M_☉≤2.05 and with the overlap band for the L_0 ×S_0 region, to present γ in the range of γ=0.25±0.05. 相似文献
8.
Araújo MJ Mattar NS Reis AS Serra IC Fialho EM Assunção AK Dutra RP Nogueira AM Libério SA Guerra RN Lopes AS Ribeiro MN Nascimento FR 《Natural product research》2011,25(11):1037-1046
The propolis of Scaptotrigona aff. postica is popularly used in Maranh?o State, Brazil, for treating wounds and respiratory illnesses. Nevertheless, little is known about the chemical composition of this propolis and the adverse effects of its use. Hence, this study is a pharmacognostic characterisation of the propolis hydroalcoholic extract (PHE) from S. aff. postica. The methodology consisted of an evaluation of the sensory and chemical parameters. Chemical analysis of PHE indicated high concentrations of phenolic and triterpens substances, and the absence of steroids. Additionally, we evaluated the acute toxicity of propolis using 48 Swiss male and female mice. The animals received single doses of PHE (1000, 2000 or 4000 mg kg?1) orally and were observed for 14 days. After this period, the mice were sacrificed and the blood was used for biochemical and haematological evaluation. PHE did not induce any death, and the acute treatment significantly reduced serum concentrations of alanine aminotransferase and alkaline phosphatase. The resultant data indicate that PHE from S. aff. postica has low toxicity when used orally, even in high doses. 相似文献
9.
Eder J. Lenardão Luiz G. Dutra Maiara T. Saraiva Raquel G. Jacob Gelson Perin 《Tetrahedron letters》2007,48(45):8011-8013
A general and easy method for the synthesis of several vinyl selenides using NaBH4 and BMIMBF4 as a recyclable solvent is described. This efficient and improved method furnishes the corresponding vinyl chalcogenides preferentially with Z configuration. We also observed that when the same protocol was applied to phenyl acetylene, (E)-bis-phenylseleno styrene was obtained in good yield and with high selectivity. 相似文献
10.